CID 90173962

C18H21F2O2Si — CID 90173962

IUPAC—
SMILESCCCO[Si](OCCC)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2O2Si/c1-3-11-21-23(22-12-4-2)16-8-5-14(6-9-16)17-10-7-15(19)13-18(17)20/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyQPJOFQRMNFMLRB-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.18
Rot. Bonds8

About CID 90173962

CID 90173962 (PubChem CID 90173962) has the molecular formula C18H21F2O2Si and a molecular weight of 335.45 g/mol.

Molecular Properties

Compound NameCID 90173962
PubChem CID90173962
Molecular FormulaC18H21F2O2Si
Molecular Weight335.45 g/mol
Exact Mass335.13
IUPAC Name—
SMILESCCCO[Si](OCCC)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2O2Si/c1-3-11-21-23(22-12-4-2)16-8-5-14(6-9-16)17-10-7-15(19)13-18(17)20/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyQPJOFQRMNFMLRB-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 90173962?
The IUPAC name of CID 90173962 (CID 90173962) is not available.
What is the SMILES notation for CID 90173962?
The canonical SMILES for CID 90173962 is CCCO[Si](OCCC)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of CID 90173962?
The InChIKey is QPJOFQRMNFMLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2O2Si/c1-3-11-21-23(22-12-4-2)16-8-5-14(6-9-16)17-10-7-15(19)13-18(17)20/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of CID 90173962?
CID 90173962 has a molecular weight of 335.45 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90173962 is sourced from PubChem (CID 90173962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).